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Spectroscopic and quantum chemical investigation of the boro-bismuthate glass structure

S. RADA1, P. PASCUTA1,* , M. BOSCA1, M. CULEA2, V. RUS1, M. NEUMANN3, E. CULEA1

Affiliation

  1. Department of Physics, Technical University of Cluj-Napoca, 400641 Cluj-Napoca, Romania
  2. Faculty of Physics, Babes-Bolyai University of Cluj-Napoca, 400084 Cluj-Napoca, Romania
  3. Faculty of Physics, University of Osnabruck, 49069 Osnabruck, Germany

Abstract

The structural properties of the 4Bi2O3·B2O3 glass were investigated by FT-IR spectroscopy and quantum chemical calculations. The main results reveal that the coordination polyhedrons of the bismuth ion from the [BiO6] structural units and of the boron ion from the [BO4] groups are irregular. Accordingly, the [BiO6] and [BO4] structural units in the studied glass matrix have a complex structural role that makes possible the formation of the vitreous system. The structure in the vicinity of the Fermi level shows a metallic behavior..

Keywords

Boro-bismuthate glasses, FTIR spectroscopy, Quantum chemical calculations, Density of electronic states.

Submitted at: Nov. 5, 2008
Accepted at: Dec. 10, 2008

Citation

S. RADA, P. PASCUTA, M. BOSCA, M. CULEA, V. RUS, M. NEUMANN, E. CULEA, Spectroscopic and quantum chemical investigation of the boro-bismuthate glass structure, Journal of Optoelectronics and Advanced Materials Vol. 10, Iss. 12, pp. 3221-3224 (2008)